Geometry & MOs

Info

ID:

416178

PubChem CID:

135089187

Reduced:

FN2O4C18H25 (1)

Stoich.:

AB2C4D18E25 (1)

Weight, g/mol:

780.345124

ΔHf, kcal/mol:

-211.45

Dipole, Da:

5.09

IP(EA), eV:

 -9.01(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,7S,10S,13S,19S)-13-benzyl-7-ethyl-15-[(2-methoxypyridin-3-yl)methyl]-4-methyl-10-(2-methylsulfanylethyl)-19-propan-2-yl-21-thia-3,6,9,12,15,18,23-heptazabicyclo[18.2.1]tricosa-1(22),20(23)-diene-2,5,8,11,17-pentone

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCNCC2)NC(=O)C3=C(C=CC=C3F)OC

DOS

IR

Vibrations